data_DOM
# 
_chem_comp.id                                    DOM 
_chem_comp.name                                  "2'-DEOXYMALTOSE" 
_chem_comp.type                                  D-SACCHARIDE 
_chem_comp.pdbx_type                             ATOMS 
_chem_comp.formula                               "C12 H22 O10" 
_chem_comp.mon_nstd_parent_comp_id               ? 
_chem_comp.pdbx_synonyms                         ? 
_chem_comp.pdbx_formal_charge                    0 
_chem_comp.pdbx_initial_date                     1999-07-08 
_chem_comp.pdbx_modified_date                    2008-10-14 
_chem_comp.pdbx_ambiguous_flag                   N 
_chem_comp.pdbx_release_status                   REL 
_chem_comp.pdbx_replaced_by                      ? 
_chem_comp.pdbx_replaces                         ? 
_chem_comp.formula_weight                        326.297 
_chem_comp.one_letter_code                       ? 
_chem_comp.three_letter_code                     DOM 
_chem_comp.pdbx_model_coordinates_details        ? 
_chem_comp.pdbx_model_coordinates_missing_flag   N 
_chem_comp.pdbx_ideal_coordinates_details        ? 
_chem_comp.pdbx_ideal_coordinates_missing_flag   N 
_chem_comp.pdbx_model_coordinates_db_code        1BYD 
_chem_comp.pdbx_subcomponent_list                ? 
_chem_comp.pdbx_processing_site                  RCSB 
# 
loop_
_chem_comp_atom.comp_id 
_chem_comp_atom.atom_id 
_chem_comp_atom.alt_atom_id 
_chem_comp_atom.type_symbol 
_chem_comp_atom.charge 
_chem_comp_atom.pdbx_align 
_chem_comp_atom.pdbx_aromatic_flag 
_chem_comp_atom.pdbx_leaving_atom_flag 
_chem_comp_atom.pdbx_stereo_config 
_chem_comp_atom.model_Cartn_x 
_chem_comp_atom.model_Cartn_y 
_chem_comp_atom.model_Cartn_z 
_chem_comp_atom.pdbx_model_Cartn_x_ideal 
_chem_comp_atom.pdbx_model_Cartn_y_ideal 
_chem_comp_atom.pdbx_model_Cartn_z_ideal 
_chem_comp_atom.pdbx_component_atom_id 
_chem_comp_atom.pdbx_component_comp_id 
_chem_comp_atom.pdbx_ordinal 
DOM C1     C1     C 0 1 N N R 0.828  31.798 31.142 -1.043 0.719  -0.854 C1     DOM 1  
DOM C2     C2     C 0 1 N N R 1.057  33.306 30.836 -1.806 0.111  -2.033 C2     DOM 2  
DOM C3     C3     C 0 1 N N S 1.003  33.659 29.305 -0.878 -0.849 -2.786 C3     DOM 3  
DOM C4     C4     C 0 1 N N S 1.914  32.741 28.516 0.405  -0.098 -3.157 C4     DOM 4  
DOM C5     C5     C 0 1 N N R 1.580  31.308 28.836 1.001  0.524  -1.892 C5     DOM 5  
DOM C6     C6     C 0 1 N N N 2.523  30.416 28.097 2.303  1.246  -2.246 C6     DOM 6  
DOM O1     O1     O 0 1 N N N -0.574 31.646 30.846 -0.591 -0.326 0.007  O1     DOM 7  
DOM O2     O2     O 0 1 N N N 0.063  34.036 31.506 -2.945 -0.602 -1.548 O2     DOM 8  
DOM O3     O3     O 0 1 N N N 1.455  34.986 29.172 -1.527 -1.310 -3.972 O3     DOM 9  
DOM O4     O4     O 0 1 N N N 1.753  32.972 27.120 1.344  -1.011 -3.728 O4     DOM 10 
DOM O5     O5     O 0 1 N N N 1.675  31.010 30.311 0.078  1.457  -1.333 O5     DOM 11 
DOM O6     O6     O 0 1 N N N 3.868  30.518 28.472 2.862  1.825  -1.066 O6     DOM 12 
DOM "C1'"  "C1'"  C 0 1 N N S -3.456 29.583 33.185 -0.086 0.004  4.081  "C1'"  DOM 13 
DOM "C2'"  "C2'"  C 0 1 N N N -3.338 31.107 33.344 -1.145 0.940  3.494  "C2'"  DOM 14 
DOM "C3'"  "C3'"  C 0 1 N N R -2.621 31.781 32.189 -1.537 0.437  2.100  "C3'"  DOM 15 
DOM "C4'"  "C4'"  C 0 1 N N S -1.307 31.065 31.954 -0.265 0.281  1.259  "C4'"  DOM 16 
DOM "C5'"  "C5'"  C 0 1 N N R -1.588 29.625 31.677 0.728  -0.603 2.015  "C5'"  DOM 17 
DOM "C6'"  "C6'"  C 0 1 N N N -0.275 28.931 31.531 1.989  -0.791 1.169  "C6'"  DOM 18 
DOM "O1'"  "O1'"  O 0 1 N Y N -4.403 29.184 32.238 -0.612 -1.322 4.151  "O1'"  DOM 19 
DOM "O3'"  "O3'"  O 0 1 N N N -2.312 33.097 32.577 -2.412 1.380  1.475  "O3'"  DOM 20 
DOM "O5'"  "O5'"  O 0 1 N N N -2.207 28.993 32.823 1.075  0.009  3.255  "O5'"  DOM 21 
DOM "O6'"  "O6'"  O 0 1 N N N -0.388 27.559 31.399 2.894  -1.662 1.850  "O6'"  DOM 22 
DOM H1     H1     H 0 1 N N N 1.071  31.470 32.179 -1.704 1.385  -0.299 H1     DOM 23 
DOM H2     H2     H 0 1 N N N 2.084  33.565 31.182 -2.132 0.905  -2.705 H2     DOM 24 
DOM H3     H3     H 0 1 N N N -0.034 33.537 28.916 -0.635 -1.698 -2.148 H3     DOM 25 
DOM H4     H4     H 0 1 N N N 2.973  32.948 28.795 0.174  0.685  -3.877 H4     DOM 26 
DOM H5     H5     H 0 1 N N N 0.524  31.127 28.523 1.208  -0.260 -1.165 H5     DOM 27 
DOM H61    1H6    H 0 1 N N N 2.184  29.356 28.173 2.097  2.031  -2.974 H61    DOM 28 
DOM H62    2H6    H 0 1 N N N 2.419  30.577 26.998 3.010  0.533  -2.671 H62    DOM 29 
DOM HO2    HO2    H 0 1 N N N 0.202  34.956 31.319 -3.496 0.036  -1.077 HO2    DOM 30 
DOM HO3    HO3    H 0 1 N N N 1.422  35.199 28.246 -2.334 -1.764 -3.691 HO3    DOM 31 
DOM HO4    HO4    H 0 1 N N N 2.324  32.396 26.625 0.926  -1.385 -4.516 HO4    DOM 32 
DOM HO6    HO6    H 0 1 N N N 4.467  29.950 28.002 3.679  2.269  -1.332 HO6    DOM 33 
DOM "H1'"  "H1'"  H 0 1 N N N -3.787 29.227 34.188 0.179  0.342  5.083  "H1'"  DOM 34 
DOM "H2'1" "1H2'" H 0 0 N N N -4.340 31.565 33.508 -0.738 1.948  3.417  "H2'1" DOM 35 
DOM "H2'2" "2H2'" H 0 0 N N N -2.854 31.366 34.314 -2.023 0.948  4.139  "H2'2" DOM 36 
DOM "H3'"  "H3'"  H 0 1 N N N -3.258 31.761 31.274 -2.039 -0.525 2.186  "H3'"  DOM 37 
DOM "H4'"  "H4'"  H 0 1 N N N -0.675 31.169 32.866 0.178  1.261  1.084  "H4'"  DOM 38 
DOM "H5'"  "H5'"  H 0 1 N N N -2.243 29.560 30.777 0.272  -1.575 2.206  "H5'"  DOM 39 
DOM "H6'1" "1H6'" H 0 0 N N N 0.307  29.362 30.683 1.720  -1.226 0.207  "H6'1" DOM 40 
DOM "H6'2" "2H6'" H 0 0 N N N 0.405  29.191 32.375 2.467  0.175  1.010  "H6'2" DOM 41 
DOM "HO1'" "'HO1" H 0 0 N N N -4.475 28.241 32.139 0.083  -1.879 4.526  "HO1'" DOM 42 
DOM "HO3'" "'HO3" H 0 0 N N N -1.863 33.519 31.853 -3.196 1.447  2.036  "HO3'" DOM 43 
DOM "HO6'" "'HO6" H 0 0 N N N 0.447  27.117 31.306 3.673  -1.754 1.285  "HO6'" DOM 44 
# 
loop_
_chem_comp_bond.comp_id 
_chem_comp_bond.atom_id_1 
_chem_comp_bond.atom_id_2 
_chem_comp_bond.value_order 
_chem_comp_bond.pdbx_aromatic_flag 
_chem_comp_bond.pdbx_stereo_config 
_chem_comp_bond.pdbx_ordinal 
DOM C1    C2     SING N N 1  
DOM C1    O1     SING N N 2  
DOM C1    O5     SING N N 3  
DOM C1    H1     SING N N 4  
DOM C2    C3     SING N N 5  
DOM C2    O2     SING N N 6  
DOM C2    H2     SING N N 7  
DOM C3    C4     SING N N 8  
DOM C3    O3     SING N N 9  
DOM C3    H3     SING N N 10 
DOM C4    C5     SING N N 11 
DOM C4    O4     SING N N 12 
DOM C4    H4     SING N N 13 
DOM C5    C6     SING N N 14 
DOM C5    O5     SING N N 15 
DOM C5    H5     SING N N 16 
DOM C6    O6     SING N N 17 
DOM C6    H61    SING N N 18 
DOM C6    H62    SING N N 19 
DOM O1    "C4'"  SING N N 20 
DOM O2    HO2    SING N N 21 
DOM O3    HO3    SING N N 22 
DOM O4    HO4    SING N N 23 
DOM O6    HO6    SING N N 24 
DOM "C1'" "C2'"  SING N N 25 
DOM "C1'" "O1'"  SING N N 26 
DOM "C1'" "O5'"  SING N N 27 
DOM "C1'" "H1'"  SING N N 28 
DOM "C2'" "C3'"  SING N N 29 
DOM "C2'" "H2'1" SING N N 30 
DOM "C2'" "H2'2" SING N N 31 
DOM "C3'" "C4'"  SING N N 32 
DOM "C3'" "O3'"  SING N N 33 
DOM "C3'" "H3'"  SING N N 34 
DOM "C4'" "C5'"  SING N N 35 
DOM "C4'" "H4'"  SING N N 36 
DOM "C5'" "C6'"  SING N N 37 
DOM "C5'" "O5'"  SING N N 38 
DOM "C5'" "H5'"  SING N N 39 
DOM "C6'" "O6'"  SING N N 40 
DOM "C6'" "H6'1" SING N N 41 
DOM "C6'" "H6'2" SING N N 42 
DOM "O1'" "HO1'" SING N N 43 
DOM "O3'" "HO3'" SING N N 44 
DOM "O6'" "HO6'" SING N N 45 
# 
loop_
_pdbx_chem_comp_descriptor.comp_id 
_pdbx_chem_comp_descriptor.type 
_pdbx_chem_comp_descriptor.program 
_pdbx_chem_comp_descriptor.program_version 
_pdbx_chem_comp_descriptor.descriptor 
DOM SMILES           ACDLabs              10.04 O(C1C(OC(O)CC1O)CO)C2OC(C(O)C(O)C2O)CO                                                                                             
DOM InChI            InChI                1.02b InChI=1/C12H22O10/c13-2-5-8(17)9(18)10(19)12(21-5)22-11-4(15)1-7(16)20-6(11)3-14/h4-19H,1-3H2/t4-,5-,6-,7+,8-,9+,10-,11+,12-/m1/s1 
DOM InChIKey         InChI                1.02b FDCIWBIYHZDLEG-AEEGTDTOBI                                                                                                          
DOM SMILES_CANONICAL CACTVS               3.341 OC[C@H]1O[C@H](O[C@H]2[C@H](O)C[C@@H](O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O                                                       
DOM SMILES           CACTVS               3.341 OC[CH]1O[CH](O[CH]2[CH](O)C[CH](O)O[CH]2CO)[CH](O)[CH](O)[CH]1O                                                                    
DOM SMILES_CANONICAL "OpenEye OEToolkits" 1.5.0 C1[C@H]([C@@H]([C@H](O[C@@H]1O)CO)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O                                                  
DOM SMILES           "OpenEye OEToolkits" 1.5.0 C1C(C(C(OC1O)CO)OC2C(C(C(C(O2)CO)O)O)O)O                                                                                           
# 
loop_
_pdbx_chem_comp_identifier.comp_id 
_pdbx_chem_comp_identifier.type 
_pdbx_chem_comp_identifier.program 
_pdbx_chem_comp_identifier.program_version 
_pdbx_chem_comp_identifier.identifier 
DOM "SYSTEMATIC NAME" ACDLabs              10.04 2-deoxy-4-O-alpha-D-glucopyranosyl-alpha-D-arabino-hexopyranose                                                   
DOM "SYSTEMATIC NAME" "OpenEye OEToolkits" 1.5.0 (2R,3R,4S,5S,6R)-2-[(2R,3S,4R,6S)-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol 
# 
